SCHEMBL1242235

SCHEMBL1242235

CC(CCl)OC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.54
BCL9 O00512 1/20 0.51
CTNNB1 P35222 1/20 0.51
GAA P10253 2/20 0.50
MGLL Q99685 2/20 0.46
PTPN7 P35236 1/20 0.44
PTPN12 Q05209 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 5/20 0.43
PKM P14618 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21097658 0.87 BCL9 (0.56) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL21097204 0.87 BCL9 (0.56) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL12375535 0.87 BCL9 (0.56) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL8915013 0.85 BCL9 (0.50) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL21058129 0.84 BCL9 (0.57) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL21058130 0.84 BCL9 (0.57) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL16203199 0.84 HTR2A (0.53) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL30209699 0.84 BCL9 (0.54) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL21058146 0.84 BCL9 (0.57) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL9846640 0.84 HTR2A (0.53) HTR2ABCL9CTNNB1GAAMGLL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367711-B2 Angiotensin II receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-20120238608-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-09-20 US disclosed
US-8252825-B2 Angiotensin II receptor antagonists NICOX (IT) 2012-08-28 US disclosed
US-8207208-B2 Angiotensin II receptor antagonists MERCK SHARP & DOHME CORP. (US) 2012-06-26 US disclosed
US-20110077279-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS NICOX S.A. (FR) 2011-03-31 US disclosed
US-20110065765-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2011-03-17 US disclosed
EP-2291076-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2011-03-09 EP disclosed
US-7880014-B2 Angiotensin II receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-20100311800-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS NICOX S.A. (FR) 2010-12-09 US disclosed
US-20100273845-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2010-10-28 US disclosed
US-20080194660-A1 Angiotensin II receptor antagonists MERCK SHARP & DOHME CORP. 2008-08-14 US disclosed
WO-2008076246-A2 NITRODERIVATIVES AS ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-06-26 WO disclosed
US-6992076-B2 Bile-acid derived compounds for providing sustained systemic concentrations of drugs after oral administration XENOPORT, INC. (US) 2006-01-31 US disclosed
US-20050272710-A1 Bile-acid derived compounds for providing sustained systemic concentrations of drugs after oral administration XENOPORT, INC. (US) 2005-12-08 US disclosed
EP-1343805-A4 BILE-ACID DERIVED COMPOUNDS FOR PROVIDING SUSTAINED SYSTEMIC CONCENTRATIONS OF DRUGS AFTER ORAL ADMINISTRATION XENOPORT INC (US) 2005-07-20 EP disclosed
EP-1343805-A1 BILE-ACID DERIVED COMPOUNDS FOR PROVIDING SUSTAINED SYSTEMIC CONCENTRATIONS OF DRUGS AFTER ORAL ADMINISTRATION Xenoport, Inc. (US) 2003-09-17 EP disclosed
US-20020151529-A1 Bile-acid derived compounds for providing sustained systemic concentrations of drugs after oral administration XENOPORT, INC. 2002-10-17 US disclosed
WO-2002028881-A1 BILE-ACID DERIVED COMPOUNDS FOR PROVIDING SUSTAINED SYSTEMIC CONCENTRATIONS OF DRUGS AFTER ORAL ADMINISTRATION XENOPORT, INC. (US) 2002-04-11 WO disclosed
US-5684018-A Acyloxyisopropyl carbamates as prodrugs for amine drugs MERCK & CO., INC. (US) 1997-11-04 US disclosed
WO-1996018605-A1 ACYLOXYISOPROPYL CARBAMATES AS PRODRUGS FOR AMINE DRUGS MERCK & CO., INC. (US) 1996-06-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110077279-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR1, AGTR2, AGT HTR2A 464/4885BCL9 4339/4885CTNNB1 4671/4885
US-20100311800-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR2, AGTR1, AGT HTR2A 138/4885BCL9 4631/4885CTNNB1 4708/4885
US-20080194660-A1 Angiotensin II receptor antagonists AGTR1, AGTR2, REN HTR2A 335/4885BCL9 3742/4885CTNNB1 3903/4885
US-20020151529-A1 Bile-acid derived compounds for providing sustained systemic concentrations of drugs after oral administration SLC10A2, SLC10A1, ABCB11 HTR2A 2906/4885BCL9 2071/4885CTNNB1 3882/4885
US-20100273845-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR2, AGTR1, REN HTR2A 331/4885BCL9 4343/4885CTNNB1 3639/4885
US-20120238608-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR1, AGTR2, REN HTR2A 395/4885BCL9 4234/4885CTNNB1 4543/4885
US-20110065765-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR1, AGTR2, REN HTR2A 419/4885BCL9 4192/4885CTNNB1 4632/4885
US-20050272710-A1 Bile-acid derived compounds for providing sustained systemic concentrations of drugs after oral administration SLC10A2, SLC10A1, ABCB11 HTR2A 2906/4885BCL9 2071/4885CTNNB1 3882/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.